ChemSpider 2D Image | Cyanomethyl N-(2-thienylsulfonyl)-beta-alaninate | C9H10N2O4S2

Cyanomethyl N-(2-thienylsulfonyl)-β-alaninate

  • Molecular FormulaC9H10N2O4S2
  • Average mass274.317 Da
  • Monoisotopic mass274.008209 Da
  • ChemSpider ID21937861

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Cyanmethyl-N-(2-thienylsulfonyl)-β-alaninat [German] [ACD/IUPAC Name]
Cyanomethyl N-(2-thienylsulfonyl)-β-alaninate [ACD/IUPAC Name]
N-(2-Thiénylsulfonyl)-β-alaninate de cyanométhyle [French] [ACD/IUPAC Name]
β-Alanine, N-(2-thienylsulfonyl)-, cyanomethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 493.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±30.9 °C
Index of Refraction: 1.561
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.75
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.69
Polar Surface Area: 133 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 192.4±3.0 cm3

Click to predict properties on the Chemicalize site


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